1-methyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride

Systemtic Name: 1-methyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride Openeye Name: 1-methyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride CAS Name: 1-methyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride IUPAC Name: 1-methyl-1,2-dihydroinden-2-ide; methylidenezirconium(2+); dichloride Traditional Name: 1-methyl-1,2-dihydroinden-2-ide; methylenezirconium(2+); dichloride Formula: C42H40Cl2Zr2-2 MolecularWeight: 798.121

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=CC2=CC=CC=C12.CC1[C-]=CC2=CC=CC=C12.CC1[C-]=CC2=CC=CC=C12.CC1[C-]=CC2=CC=CC=C12.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1[C-]=CC2=CC=CC=C12.CC1[C-]=CC2=CC=CC=C12.CC1[C-]=CC2=CC=CC=C12.CC1[C-]=CC2=CC=CC=C12.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C10H9.2CH2.2ClH.2Zr/c4*1-8-6-7-9-4-2-3-5-10(8)9;;;;;;/h4*2-5,7-8H,1H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2